1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol

C11H20N2O3S — CID 106730648

IUPAC1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CCS(=O)(=O)C(C)C)c1
InChIInChI=1S/C11H20N2O3S/c1-4-11(14)10-7-12-13(8-10)5-6-17(15,16)9(2)3/h7-9,11,14H,4-6H2,1-3H3
InChIKeyTWGVQQAYANSLOU-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.15
Rot. Bonds6

About 1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol

1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 106730648) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol
PubChem CID106730648
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CCS(=O)(=O)C(C)C)c1
InChIInChI=1S/C11H20N2O3S/c1-4-11(14)10-7-12-13(8-10)5-6-17(15,16)9(2)3/h7-9,11,14H,4-6H2,1-3H3
InChIKeyTWGVQQAYANSLOU-UHFFFAOYSA-N
XLogP1.15
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole
CID 106730682
1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonyl chloride
CID 106728488
[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine
CID 106729373
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981633
ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole
CID 176666040
1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
CID 115601039
1-[1-(2-methylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 62729712
1-[1-(2-phenylsulfanylethyl)pyrazol-4-yl]propan-1-ol
CID 79228275
1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-ol
CID 62732009
1-[1-[2-(4-nitrophenyl)ethyl]pyrazol-4-yl]propan-1-ol
CID 62732008
N-ethyl-1-[1-(2-methylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 62729799

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol (CID 106730648) is 1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(CCS(=O)(=O)C(C)C)c1.
What is the InChIKey of 1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is TWGVQQAYANSLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-4-11(14)10-7-12-13(8-10)5-6-17(15,16)9(2)3/h7-9,11,14H,4-6H2,1-3H3.
What are the key properties of 1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol?
1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 260.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 106730648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).